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"updated_at": "2022-09-04T16:03:14.579674Z",
"structure_string": "Yb2 Y4 Ni2 O12\n1.0\n5.301829 0.000000 0.000000\n0.000000 5.671086 0.000000\n-5.271524 0.000000 7.659932\nNi O Y Yb\n2 12 4 2\ndirect\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.265653 0.824299 0.052879 O\n0.401533 0.281439 0.068104 O\n0.846046 0.949963 0.226007 O\n0.153954 0.449963 0.273993 O\n0.598467 0.781439 0.431896 O\n0.734347 0.324299 0.447121 O\n0.265653 0.675701 0.552879 O\n0.401533 0.218561 0.568104 O\n0.846046 0.550037 0.726007 O\n0.153954 0.050037 0.773993 O\n0.598467 0.718561 0.931896 O\n0.734347 0.175701 0.947121 O\n0.268527 0.070263 0.247180 Y\n0.731473 0.570263 0.252820 Y\n0.268527 0.429737 0.747180 Y\n0.731473 0.929737 0.752820 Y\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n",
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"structure_string": "Sr4 Lu2 Ta2 O12\n1.0\n5.757047 0.000000 0.000000\n0.000000 5.815368 0.000000\n-5.736180 0.000000 8.162353\nLu O Sr Ta\n2 12 4 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.264704 0.295711 0.039071 O\n0.339381 0.775100 0.041629 O\n0.815202 0.480427 0.238764 O\n0.184798 0.980427 0.261236 O\n0.660619 0.275100 0.458371 O\n0.735296 0.795711 0.460929 O\n0.264704 0.204289 0.539071 O\n0.339381 0.724900 0.541629 O\n0.815202 0.019573 0.738764 O\n0.184798 0.519573 0.761236 O\n0.660619 0.224900 0.958371 O\n0.735296 0.704289 0.960929 O\n0.257417 0.533574 0.249764 Sr\n0.742583 0.033574 0.250236 Sr\n0.257417 0.966426 0.749764 Sr\n0.742583 0.466426 0.750236 Sr\n0.500000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ta\n",
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"structure_string": "Sr4 Nd2 Sb2 O12\n1.0\n5.874708 0.000000 0.000000\n0.000000 6.016179 0.000000\n-5.826405 0.000000 8.389711\nNd O Sb Sr\n2 12 2 4\ndirect\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.271146 0.810717 0.045766 O\n0.367964 0.273793 0.052711 O\n0.821906 0.966858 0.229668 O\n0.178094 0.466858 0.270332 O\n0.632036 0.773793 0.447289 O\n0.728854 0.310717 0.454234 O\n0.271146 0.689283 0.545766 O\n0.367964 0.226207 0.552711 O\n0.821906 0.533142 0.729668 O\n0.178094 0.033142 0.770332 O\n0.632036 0.726207 0.947289 O\n0.728854 0.189283 0.954234 O\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.261085 0.043097 0.249256 Sr\n0.738915 0.543097 0.250744 Sr\n0.261085 0.456903 0.749256 Sr\n0.738915 0.956903 0.750744 Sr\n",
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"structure_string": "Y4 Ni2 Ag2 O12\n1.0\n5.312359 0.000000 0.000000\n0.000000 5.855764 0.000000\n-5.288969 0.000000 7.470112\nAg Ni O Y\n2 2 12 4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.378944 0.190625 0.057607 O\n0.259191 0.673216 0.060569 O\n0.875515 0.547897 0.246848 O\n0.124485 0.047897 0.253152 O\n0.740809 0.173216 0.439431 O\n0.621056 0.690625 0.442393 O\n0.378944 0.309375 0.557607 O\n0.259191 0.826784 0.560569 O\n0.875515 0.952103 0.746848 O\n0.124485 0.452103 0.753152 O\n0.740809 0.326784 0.939431 O\n0.621056 0.809375 0.942393 O\n0.723105 0.913840 0.248713 Y\n0.276895 0.413840 0.251287 Y\n0.723105 0.586160 0.748713 Y\n0.276895 0.086160 0.751287 Y\n",
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"structure_string": "Na2 La2 Mn2 Ir2 O12\n1.0\n5.513838 0.000000 0.000000\n0.000000 5.539289 0.000000\n-0.006380 0.000000 7.883147\nIr La Mn Na O\n2 2 2 2 12\ndirect\n0.752192 0.245179 0.259649 Ir\n0.247808 0.745179 0.740351 Ir\n0.258193 0.282165 0.000000 La\n0.741807 0.782165 0.000000 La\n0.246843 0.749700 0.271108 Mn\n0.753157 0.249700 0.728892 Mn\n0.243403 0.214068 0.499311 Na\n0.756597 0.714068 0.500689 Na\n0.825846 0.232426 0.005693 O\n0.535896 0.519120 0.198668 O\n0.471892 0.031278 0.200287 O\n0.044611 0.436669 0.281464 O\n0.935575 0.945422 0.284329 O\n0.657375 0.277374 0.489242 O\n0.342625 0.777374 0.510758 O\n0.064425 0.445422 0.715671 O\n0.955389 0.936669 0.718536 O\n0.528108 0.531278 0.799713 O\n0.464104 0.019120 0.801332 O\n0.174154 0.732426 0.994307 O\n",
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"volume_molar": 7.249842269810058,
"formula_full": "Na2 La2 Mn2 Ir2 O12",
"formula_reduced": "NaLaMnIrO6",
"formula_anonymous": "ABCDE6",
"formation_energy": -2.1079747483336044,
"spacegroup": 4
}
]
}